N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine

C42H31N3S — CID 130250062

IUPACN-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine
SMILESc1ccc(Sc2ccccc2Nc2cccc(-n3c4ccccc4c4ccc(Nc5ccc(-c6ccccc6)cc5)cc43)c2)cc1
InChIInChI=1S/C42H31N3S/c1-3-12-30(13-4-1)31-22-24-32(25-23-31)43-34-26-27-38-37-18-7-9-20-40(37)45(41(38)29-34)35-15-11-14-33(28-35)44-39-19-8-10-21-42(39)46-36-16-5-2-6-17-36/h1-29,43-44H
InChIKeyVTPSRCBKJALGQB-UHFFFAOYSA-N
MW609.80 g/mol
LogP12.09
Rot. Bonds8

About N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine

N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine (PubChem CID 130250062) has the molecular formula C42H31N3S and a molecular weight of 609.80 g/mol. Its IUPAC name is N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine
PubChem CID130250062
Molecular FormulaC42H31N3S
Molecular Weight609.80 g/mol
Exact Mass609.22
IUPAC NameN-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine
SMILESc1ccc(Sc2ccccc2Nc2cccc(-n3c4ccccc4c4ccc(Nc5ccc(-c6ccccc6)cc5)cc43)c2)cc1
InChIInChI=1S/C42H31N3S/c1-3-12-30(13-4-1)31-22-24-32(25-23-31)43-34-26-27-38-37-18-7-9-20-40(37)45(41(38)29-34)35-15-11-14-33(28-35)44-39-19-8-10-21-42(39)46-36-16-5-2-6-17-36/h1-29,43-44H
InChIKeyVTPSRCBKJALGQB-UHFFFAOYSA-N
XLogP12.09
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.80
LogP ≤ 512.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 142745530
N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 159366258
N-(3-carbazol-9-ylphenyl)-2-phenylaniline
CID 70950994
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
N-[4-(4-ethenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 166647227
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 59827989
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 118907859
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 177084601
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine?
The IUPAC name of N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine (CID 130250062) is N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine is c1ccc(Sc2ccccc2Nc2cccc(-n3c4ccccc4c4ccc(Nc5ccc(-c6ccccc6)cc5)cc43)c2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine?
The InChIKey is VTPSRCBKJALGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3S/c1-3-12-30(13-4-1)31-22-24-32(25-23-31)43-34-26-27-38-37-18-7-9-20-40(37)45(41(38)29-34)35-15-11-14-33(28-35)44-39-19-8-10-21-42(39)46-36-16-5-2-6-17-36/h1-29,43-44H.
What are the key properties of N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine?
N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine has a molecular weight of 609.80 g/mol, XLogP of 12.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine is sourced from PubChem (CID 130250062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).